Geometry & MOs

Info

ID:	275094
PubChem CID:	103813759
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	9.06
IP(EA), eV:	-9.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(C=C1)NC(=O)[C@@H]2CCCCN2

DOS

IR

Vibrations